SCHEMBL30065009

SCHEMBL30065009

Fc1ccc(OCc2ccccc2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.57
ALOX5 P09917 1/20 0.56
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOA P21397 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
TOP1 P11387 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8251097 1.00 MAOB (0.57) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL29597315 0.86 MAOB (0.57) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL320455 0.86 MAOB (0.57) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL29870987 0.86 MAOB (0.43) MAOBALOX5MAPTRAB9ASMN1; SMN2
SCHEMBL26428048 0.86 MAOB (0.43) MAOBALOX5MAPTRAB9ASMN1; SMN2
SCHEMBL190181 0.85 MAOB (0.55) MAOBMAOARAB9ASMN1; SMN2
SCHEMBL15817 0.84 ALOX5 (0.61) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL3823883 0.84 MAOB (0.62) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL29468641 0.83 SMN1; SMN2 (0.46) MAOBLMNACYP1A2CYP2C19MAOA
SCHEMBL11161892 0.83 MAOB (0.49) MAOBHDAC6MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP disclosed